5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one

C13H24N2O2 — CID 64656753

IUPAC5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one
SMILESCN1CC(NCC2(O)CCCCC2)CCC1=O
InChIInChI=1S/C13H24N2O2/c1-15-9-11(5-6-12(15)16)14-10-13(17)7-3-2-4-8-13/h11,14,17H,2-10H2,1H3
InChIKeyUMEDUJRMBXMSIL-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.89
Rot. Bonds3

About 5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one

5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one (PubChem CID 64656753) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one
PubChem CID64656753
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one
SMILESCN1CC(NCC2(O)CCCCC2)CCC1=O
InChIInChI=1S/C13H24N2O2/c1-15-9-11(5-6-12(15)16)14-10-13(17)7-3-2-4-8-13/h11,14,17H,2-10H2,1H3
InChIKeyUMEDUJRMBXMSIL-UHFFFAOYSA-N
XLogP0.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one (CID 64656753) is 5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one is CN1CC(NCC2(O)CCCCC2)CCC1=O.
What is the InChIKey of 5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one?
The InChIKey is UMEDUJRMBXMSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15-9-11(5-6-12(15)16)14-10-13(17)7-3-2-4-8-13/h11,14,17H,2-10H2,1H3.
What are the key properties of 5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one?
5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one has a molecular weight of 240.35 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64656753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).